NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5656 8.2893 120.3320 55.2490 33.1866 174.5665 2 R 4.5632 8.2713 119.4321 53.9826 32.5054 172.7808 3 D 4.5401 9.4346 117.4266 54.8459 45.2336 176.4741 4 M 4.8904 7.6593 115.9774 53.1258 35.7274 175.5025 5 T 3.9762 8.7932 112.0391 64.8813 70.2336 176.6678 6 E 3.5828 7.8019 118.6996 56.3157 29.7593 178.2797 7 E 4.1170 8.9471 127.3176 57.4858 29.7234 175.8291 8 T 4.5977 8.1909 119.5917 61.5443 71.4009 174.3543 9 R 4.2579 8.4654 124.8760 55.9022 30.9918 175.9590 10 K 4.5246 8.0872 118.2732 56.2099 35.6456 176.6500 11 D 4.2986 8.8220 118.2665 54.6613 37.8393 173.3596 12 L 4.0329 7.7261 119.6018 54.1611 42.6828 175.9931 13 P 4.5167 0.0000 0.0000 61.9517 32.4186 175.1542 14 P 4.6084 0.0000 0.0000 62.8557 30.6256 178.1126 15 E 3.8843 8.0493 120.5909 60.4744 30.0719 177.0701 16 A 4.0299 7.8857 120.3708 54.8041 18.7385 179.1843 17 L 3.8672 7.8103 118.4630 58.3840 42.2858 179.0804 18 R 3.9054 8.4668 118.8411 59.1901 29.8823 178.1677 19 A 4.0263 7.8733 120.6279 55.2428 18.3371 179.5978 20 L 3.9089 7.9648 117.1440 57.8924 41.7928 179.6434 21 A 4.0164 7.8360 120.2809 55.2071 18.0784 179.5941 22 E 4.1891 8.7673 117.8209 58.9587 29.5984 179.1297 23 A 4.1219 8.1378 120.3456 54.9585 18.7601 179.0083 24 E 4.0153 8.1586 118.1774 59.3333 29.2502 178.5487 25 E 4.0574 7.9596 118.3584 57.8703 29.6608 177.0360 26 R 4.7135 7.3297 113.4448 53.7038 32.9431 175.1027 27 R 4.7139 8.0931 117.1391 53.5144 35.2858 176.3857 28 R 3.9028 8.5231 120.9397 59.8602 30.2011 179.2249 29 R 3.8473 8.0037 117.1150 59.1439 29.8592 178.7281 30 A 4.0600 7.8002 119.4384 54.9062 18.5762 179.0502 31 K 4.0140 7.6871 113.7474 56.6377 33.0461 176.1289 32 A 3.5226 8.6604 120.5218 52.1662 15.4122 180.3843 33 L 4.5223 7.3007 122.3352 53.7508 43.6507 174.2045 34 D 4.2663 8.3649 123.5639 55.1864 42.0943 175.5340 35 L 3.5365 7.9556 118.0214 55.0039 38.9052 173.2697 36 P 4.2264 0.0000 0.0000 64.9136 32.1816 177.7235 37 K 4.0986 7.1620 119.3310 56.9176 32.3156 174.9227 38 E 4.8755 8.5122 122.0673 57.4307 36.6646 177.1945 39 I 3.7434 7.8741 111.2732 63.0660 37.9233 176.2002 40 G 3.9740 7.1925 106.9746 45.0056 0.0000 174.6281 41 G 4.2637 7.7546 103.6941 45.1520 0.0000 173.3025 42 R 4.2082 7.7630 120.9089 55.7377 31.4864 176.6900 43 N 4.5583 8.6183 118.9088 52.7987 38.3515 174.8223 44 G 4.3891 8.0682 110.0137 43.4059 0.0000 170.4054 45 P 4.3809 0.0000 0.0000 63.3682 31.8434 176.7605 46 E 4.7838 8.1180 119.4967 54.7006 30.8398 172.5618 47 P 4.4638 0.0000 0.0000 61.6128 32.4098 176.7688 48 V 3.8252 8.4160 121.0083 63.3641 32.4420 176.8848 49 R 4.2753 8.3643 123.7441 55.3034 28.2248 176.0835 50 F 5.0239 7.1856 113.2276 55.1344 40.5592 176.1012 51 G 4.0310 8.3603 110.3332 44.9737 0.0000 172.8755 52 D 4.4955 7.7148 119.7895 51.8941 40.3644 174.4116 53 W 4.6656 8.7989 124.2829 55.0727 31.6696 176.5900 54 E 4.8458 8.4610 120.7705 55.3354 29.8185 175.9973 55 K 4.1521 8.2983 122.1780 59.1119 33.0908 177.3538 56 K 4.0593 8.1755 116.8994 56.0048 33.4333 177.2284 57 G 3.9446 8.0683 107.0933 46.3578 0.0000 172.3945 58 I 3.6591 8.3041 119.4949 64.5185 37.1837 177.3532 59 A 4.0358 7.9880 120.4347 53.2139 18.4467 176.2208 60 I 3.5821 6.9620 116.0418 61.3647 37.5708 174.0148 61 D 4.7069 7.9103 125.6934 52.8247 42.1700 175.0870 62 F 4.3300 8.4281 120.2626 59.1096 39.3609 173.1064 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.57 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 R 8.27 4.56 0.00 1.92 1.83 0.00 2.97 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 3 D 9.43 4.54 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.66 4.89 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 5 T 8.79 3.98 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 6 E 7.80 3.58 0.00 2.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 7 E 8.95 4.12 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 8 T 8.19 4.60 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 9 R 8.47 4.26 0.00 1.78 1.86 0.00 3.19 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 10 K 8.09 4.52 0.00 1.68 1.66 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.41 7.81 11 D 8.82 4.30 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.73 4.03 0.00 1.63 1.63 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.52 0.00 2.17 2.06 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 14 P 0.00 4.61 0.00 2.28 2.29 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 15 E 8.05 3.88 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 16 A 7.89 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.81 3.87 0.00 1.77 1.67 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.47 3.91 0.00 1.99 1.92 0.00 3.21 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 19 A 7.87 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.96 3.91 0.00 1.92 1.73 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.84 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.77 4.19 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 23 A 8.14 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.16 4.02 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 25 E 7.96 4.06 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 26 R 7.33 4.71 0.00 1.89 1.83 0.00 3.03 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 27 R 8.09 4.71 0.00 1.81 1.79 0.00 3.13 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 28 R 8.52 3.90 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 29 R 8.00 3.85 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 30 A 7.80 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.69 4.01 0.00 1.91 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.69 1.60 7.81 32 A 8.66 3.52 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.30 4.52 0.00 1.38 1.54 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.36 4.27 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.96 3.54 0.00 1.95 1.73 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.23 0.00 2.22 2.17 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 37 K 7.16 4.10 0.00 1.68 1.79 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.38 7.81 38 E 8.51 4.88 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 39 I 7.87 3.74 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.91 0.00 0.00 40 G 7.19 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.75 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.76 4.21 0.00 1.82 1.87 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 43 N 8.62 4.56 0.00 2.81 2.82 0.00 0.00 5.81 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.07 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.38 0.00 2.07 2.02 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 46 E 8.12 4.78 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 47 P 0.00 4.46 0.00 2.17 2.21 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 48 V 8.42 3.83 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.00 0.00 0.00 49 R 8.36 4.28 0.00 1.88 1.91 0.00 3.25 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 50 F 7.19 5.02 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.36 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.71 4.50 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.80 4.67 0.00 3.49 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.46 4.85 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 55 K 8.30 4.15 0.00 1.81 1.89 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 56 K 8.18 4.06 0.00 1.92 1.83 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 57 G 8.07 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.30 3.66 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.59 0.92 0.00 0.00 59 A 7.99 4.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 6.96 3.58 2.09 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.88 1.00 0.00 0.00 61 D 7.91 4.71 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.43 4.33 0.00 2.91 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00